(alphaS)-alpha-[[(E)-3-(4-Nitrophenyl)-1-Oxo-2-Propenyl]Oxy]Benzenepropanoic Acid
[CAS# 29842-22-6]

Identification

• Name: (alphaS)-alpha-[[(E)-3-(4-Nitrophenyl)-1-Oxo-2-Propenyl]Oxy]Benzenepropanoic Acid
• Synonyms: 2-[(E)-3-(4-Nitrophenyl)Prop-2-Enoyl]Oxy-3-Phenyl-Propanoic Acid; 2-[(E)-3-(4-Nitrophenyl)-1-Oxoprop-2-Enoxy]-3-Phenylpropanoic Acid; 2-[(E)-3-(4-Nitrophenyl)Acryloyl]Oxy-3-Phenyl-Propionic Acid
• Molecular Formula: C₁₈H₁₅NO₆
• Molecular Weight: 341.32
• CAS Registry Number: 29842-22-6
• SMILES: C1=CC=CC=C1CC(OC(=O)\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C(=O)O
• InChI: 1S/C18H15NO6/c20-17(11-8-13-6-9-15(10-7-13)19(23)24)25-16(18(21)22)12-14-4-2-1-3-5-14/h1-11,16H,12H2,(H,21,22)/b11-8+
• InChIKey: ZCACQPQQMFRMSQ-DHZHZOJOSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 538.308°C at 760 mmHg (Cal.)
• Flash point: 279.359°C (Cal.)